ethyl 4-fluoro-6-iodopyridine-3-carboxylate

C8H7FINO2 — CID 131189599

IUPACethyl 4-fluoro-6-iodopyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(I)cc1F
InChIInChI=1S/C8H7FINO2/c1-2-13-8(12)5-4-11-7(10)3-6(5)9/h3-4H,2H2,1H3
InChIKeyWFHYGPROWQOQEK-UHFFFAOYSA-N
MW295.05 g/mol
LogP2.00
Rot. Bonds2

About ethyl 4-fluoro-6-iodopyridine-3-carboxylate

ethyl 4-fluoro-6-iodopyridine-3-carboxylate (PubChem CID 131189599) has the molecular formula C8H7FINO2 and a molecular weight of 295.05 g/mol. Its IUPAC name is ethyl 4-fluoro-6-iodopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoro-6-iodopyridine-3-carboxylate
PubChem CID131189599
Molecular FormulaC8H7FINO2
Molecular Weight295.05 g/mol
Exact Mass294.95
IUPAC Nameethyl 4-fluoro-6-iodopyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(I)cc1F
InChIInChI=1S/C8H7FINO2/c1-2-13-8(12)5-4-11-7(10)3-6(5)9/h3-4H,2H2,1H3
InChIKeyWFHYGPROWQOQEK-UHFFFAOYSA-N
XLogP2.00
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.05
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze ethyl 4-fluoro-6-iodopyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-6-iodopyridine-3-carboxylate?
The IUPAC name of ethyl 4-fluoro-6-iodopyridine-3-carboxylate (CID 131189599) is ethyl 4-fluoro-6-iodopyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-fluoro-6-iodopyridine-3-carboxylate?
The canonical SMILES for ethyl 4-fluoro-6-iodopyridine-3-carboxylate is CCOC(=O)c1cnc(I)cc1F.
What is the InChIKey of ethyl 4-fluoro-6-iodopyridine-3-carboxylate?
The InChIKey is WFHYGPROWQOQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FINO2/c1-2-13-8(12)5-4-11-7(10)3-6(5)9/h3-4H,2H2,1H3.
What are the key properties of ethyl 4-fluoro-6-iodopyridine-3-carboxylate?
ethyl 4-fluoro-6-iodopyridine-3-carboxylate has a molecular weight of 295.05 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-6-iodopyridine-3-carboxylate is sourced from PubChem (CID 131189599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).